N7-ethyl-6-nitro-N4-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazoline-4,7-diamine

Systemtic Name: N7-ethyl-6-nitro-N4-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazoline-4,7-diamine Openeye Name: N7-ethyl-6-nitro-N4-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazoline-4,7-diamine CAS Name: N7-ethyl-6-nitro-N4-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]quinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-6-nitro-4-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazoline-4,7-diamine Traditional Name: ethyl-[6-nitro-4-[[2-(pyrrolidinomethyl)benzyl]amino]quinazolin-7-yl]amine Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3CN4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3CN4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O2/c1-2-23-20-12-19-18(11-21(20)28(29)30)22(26-15-25-19)24-13-16-7-3-4-8-17(16)14-27-9-5-6-10-27/h3-4,7-8,11-12,15,23H,2,5-6,9-10,13-14H2,1H3,(H,24,25,26)